2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide

C28H27N7O2 — CID 163751773

IUPAC2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCn1nc(-c2ccccc2)cc1CC(=O)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1
InChIInChI=1S/C28H27N7O2/c1-34-22(15-25(33-34)19-5-3-2-4-6-19)16-26(36)31-21-9-7-20(8-10-21)24-17-23-27(32-24)29-18-30-28(23)35-11-13-37-14-12-35/h2-10,15,17-18H,11-14,16H2,1H3,(H,31,36)(H,29,30,32)
InChIKeyJAXIQJXJPNOBID-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.04
Rot. Bonds6

About 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide

2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide (PubChem CID 163751773) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
PubChem CID163751773
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCn1nc(-c2ccccc2)cc1CC(=O)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1
InChIInChI=1S/C28H27N7O2/c1-34-22(15-25(33-34)19-5-3-2-4-6-19)16-26(36)31-21-9-7-20(8-10-21)24-17-23-27(32-24)29-18-30-28(23)35-11-13-37-14-12-35/h2-10,15,17-18H,11-14,16H2,1H3,(H,31,36)(H,29,30,32)
InChIKeyJAXIQJXJPNOBID-UHFFFAOYSA-N
XLogP4.04
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide
CID 163751772
2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 171431506
N-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-2-(1-methyl-3-phenylpyrazol-5-yl)acetamide
CID 163740827
ethane;N-[4-[[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]carbamoylamino]phenyl]but-2-ynamide
CID 167469014
(E)-4-(dimethylamino)-N-[2-methyl-4-[2-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)anilino]-2-oxoethyl]phenyl]but-2-enamide
CID 154988974
2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea
CID 163811885
N-[4-[[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)anilino]sulfanylmethyl]phenyl]but-2-ynamide
CID 167040153
N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-[1-(1-prop-2-enoylazetidin-3-yl)piperidin-4-yl]acetamide
CID 164539057
N-[4-[4-[2-[5-[5-[2-[4-(6-morpholin-4-yl-7H-purin-8-yl)anilino]-2-oxoethyl]-1H-pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide
CID 167040161
N-[1-[2-[2-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)anilino]-2-oxoethyl]-4-pyridinyl]piperidin-3-yl]prop-2-enamide
CID 154988957
2-[3-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-2-methyl-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propanamide
CID 171431566
methane;4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]pyridine-2-carboxamide;4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 161409547

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide (CID 163751773) is 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide is Cn1nc(-c2ccccc2)cc1CC(=O)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.
What is the InChIKey of 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The InChIKey is JAXIQJXJPNOBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-34-22(15-25(33-34)19-5-3-2-4-6-19)16-26(36)31-21-9-7-20(8-10-21)24-17-23-27(32-24)29-18-30-28(23)35-11-13-37-14-12-35/h2-10,15,17-18H,11-14,16H2,1H3,(H,31,36)(H,29,30,32).
What are the key properties of 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide has a molecular weight of 493.57 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide is sourced from PubChem (CID 163751773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).